EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C29H39N5O5 |
| Net Charge | 0 |
| Average Mass | 537.661 |
| Monoisotopic Mass | 537.29512 |
| SMILES | C[C@H](CO)N1C[C@H](C)[C@H](CN(C)C(=O)NC2CCCCC2)Oc2c(NC(=O)c3ccncc3)cccc2C1=O |
| InChI | InChI=1S/C29H39N5O5/c1-19-16-34(20(2)18-35)28(37)23-10-7-11-24(32-27(36)21-12-14-30-15-13-21)26(23)39-25(19)17-33(3)29(38)31-22-8-5-4-6-9-22/h7,10-15,19-20,22,25,35H,4-6,8-9,16-18H2,1-3H3,(H,31,38)(H,32,36)/t19-,20+,25-/m0/s1 |
| InChIKey | KKCRHGGATFNVQS-DFIYOIEZSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| N-[(2R,3S)-2-[[[(cyclohexylamino)-oxomethyl]-methylamino]methyl]-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2H-1,5-benzoxazocin-10-yl]-4-pyridinecarboxamide (CHEBI:108873) is a pyridinecarboxamide (CHEBI:25529) |
| Manual Xrefs | Databases |
|---|---|
| LSM-20272 | LINCS |